SCHEMBL900230

SCHEMBL900230

Cc1cc(N2CCN(C(=O)C=CC(C)F)CC2)c2ccccc2n1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.74
MEN1 O00255 5/20 0.74
NCF1 P14598 7/20 0.65
LMNA P02545 3/20 0.51
HTT P42858 3/20 0.51
USP2 O75604 2/20 0.51
MAPK1 P28482 2/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
PKM P14618 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PSMD14 O00487 1/20 0.48
APAF1 O14727 1/20 0.48
TSHR P16473 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL900227 1.00 KMT2A (0.74) KMT2AMEN1NCF1LMNAHTT
SCHEMBL900228 1.00 KMT2A (0.74) KMT2AMEN1NCF1LMNAHTT
SCHEMBL15153008 0.90 KMT2A (0.76) KMT2AMEN1NCF1LMNAHTT
SCHEMBL15153001 0.90 KMT2A (0.76) KMT2AMEN1NCF1LMNAHTT
SCHEMBL15153006 0.90 KMT2A (0.76) KMT2AMEN1NCF1LMNAHTT
SCHEMBL21392990 0.83 MEN1 (0.78) KMT2AMEN1NCF1LMNAHTT
SCHEMBL15152938 0.83 MEN1 (0.78) KMT2AMEN1NCF1LMNAHTT
SCHEMBL15152940 0.83 MEN1 (0.78) KMT2AMEN1NCF1LMNAHTT
SCHEMBL900155 0.80 NCF1 (0.82) KMT2AMEN1NCF1LMNAHTT
SCHEMBL15153027 0.78 MEN1 (0.70) KMT2AMEN1NCF1LMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
EP-2621923-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES Intervet International B.V. (NL) 2013-08-07 EP disclosed
WO-2012041872-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES PIGO, HNMT, PIGS KMT2A 2910/4885MEN1 1483/4885NCF1 823/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.